1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one
TL;DR: 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one (CAS 132609-14-4) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-methoxycyclohexyl)-1-(4-nitrophenyl)prop-2-yn-1-one
Also Known As: 1-{4-nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one, 3-(1-methoxycyclohexyl)-1-(4-nitrophenyl)prop-2-yn-1-one, AI-597/32227019, Cambridge id 5213810
Technical Specifications
| Molecular Formula | C16H17NO4 |
| Molecular Weight | 287.11575 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.11575 Da |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
| SMILES | COC1(CCCCC1)C#CC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XLMNZALBFRVFBK-UHFFFAOYSA-N |
Chemical Property Profile of 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one
Property Insights of 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one
The XLogP value of 3.3 indicates that 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one. Following Lipinski's Rule of Five, 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one?
The CAS number of 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one is 132609-14-4.
What is the molecular formula of 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one?
The molecular formula of 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one is C16H17NO4.
What is the molecular weight of 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one?
The molecular weight of 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one is 287.11575 g/mol.
Where can I buy 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one?
You can request a quote for 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one?
Yes, CoreyChem provides custom synthesis services for 1-{4-Nitrophenyl}-3-(1-methoxycyclohexyl)-2-propyn-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.